1-(3-Chloro-6-hydroxy-2,4-dimethylphenyl)ethanone

Base Information

• Chemical Name: 1-(3-Chloro-6-hydroxy-2,4-dimethylphenyl)ethanone
• CAS No.: 50343-13-0
• Molecular Formula: C10H11 Cl O2
• Molecular Weight: 198.649
• NSC Number: 211441
• DSSTox Substance ID: DTXSID60309243
• Nikkaji Number: J2.265.400D
• Wikidata: Q82057572
• Mol file: 50343-13-0.mol

Synonyms:1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)ethanone;50343-13-0;1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)ethan-1-one;NSC211441;SCHEMBL4264877;DTXSID60309243;MFCD14704166;AKOS005061971;NSC 211441;NSC-211441;CS-0279422;EN300-1276748;2',4'-Dimethyl-3'-chloro-6'-hydroxyacetophenone

Chemical Property of 1-(3-Chloro-6-hydroxy-2,4-dimethylphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.000315mmHg at 25°C
• Boiling Point: 311.1°C at 760 mmHg
• Flash Point: 141.9°C
• Density: 1.212g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1Cl)C)C(=O)C)O

Technology Process of 1-(3-Chloro-6-hydroxy-2,4-dimethylphenyl)ethanone

There total 16 articles about 1-(3-Chloro-6-hydroxy-2,4-dimethylphenyl)ethanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 60.0%

4-Chloro-3,5-dimethylphenol (88-04-0) + acetic acid (64-19-7,77671-22-8) → 1-(3-chloro-6-hydroxy-2,4 dimethyl phenyl) ethanone (50343-13-0) + 6-chloro-2,5,7-trimethyl-4H-chromen-4-one (119138-87-3) + 3-acetyl-6-chloro-2,5,7-trimethyl-4H-chromen-4-one

Guidance literature:

With titanium tetrachloride; In neat (no solvent); at 100 ℃; Inert atmosphere;

DOI:10.1039/c4ob01743a

Reference yield: 50.0%

3-chloro-4-trimethylsilanyloxy-pent-3-en-2-one (1021178-44-8) + 1-methyl-1,3-bis(trimethylsilyloxy)buta-1,3-diene (63446-76-4,63446-77-5,68225-97-8) → 1-(3-chloro-6-hydroxy-2,4 dimethyl phenyl) ethanone (50343-13-0)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at -78 - 20 ℃; for 20h;

DOI:10.1016/j.tetlet.2005.11.077

Reference yield:

4-chloro-3, 5, dimethyl phenyl acetate (22012-58-4) → 1-(3-chloro-6-hydroxy-2,4 dimethyl phenyl) ethanone (50343-13-0)

Guidance literature:

With aluminium trichloride; at 155 ℃;

DOI:10.1021/ja01233a043 DOI:10.1021/ja01333a058

upstream raw materials:

6-chloro-2,5,7-trimethyl-4H-chromen-4-one

6-chloro-4,5,7-trimethyl-coumarin

6-chloro-3,4,5,7-tetramethyl-coumarin

4-chloro-3, 5, dimethyl phenyl acetate

Downstream raw materials:

2-Ethyl-3,5-dimethyl-p-Chlorophenol

1-(3-Chloro-6-methoxymethoxy-2,4-dimethyl-phenyl)-ethanone

3-(3-Chloro-6-methoxymethoxy-2,4-dimethyl-phenyl)-3-hydroxy-butyric acid tert-butyl ester

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